CID 736143

Phenyl trans-styryl sulfone

Structural Information

Molecular Formula
C14H12O2S
SMILES
C1=CC=C(C=C1)/C=C/S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H12O2S/c15-17(16,14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+
InChIKey
DNMCCXFLTURVLK-VAWYXSNFSA-N
Compound name
[(E)-2-(benzenesulfonyl)ethenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

197
Patents

244.0558 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.06308 153.1
[M+Na]+ 267.04502 161.4
[M-H]- 243.04852 160.0
[M+NH4]+ 262.08962 170.8
[M+K]+ 283.01896 156.2
[M+H-H2O]+ 227.05306 146.3
[M+HCOO]- 289.05400 172.0
[M+CH3COO]- 303.06965 187.2
[M+Na-2H]- 265.03047 158.7
[M]+ 244.05525 154.6
[M]- 244.05635 154.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe